SCHEMBL5823601

SCHEMBL5823601

O=C(c1ccc(-c2cccc(C(F)(F)CF)c2)cc1F)N1CCN(c2ncccn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 11/20 0.62
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
SLC6A3 Q01959 1/20 0.49
TSHR P16473 1/20 0.47
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3578419 0.90 SLC6A7 (0.77) SLC6A7KDM4EALDH1A1L3MBTL1SLC6A3
SCHEMBL4789636 0.84 SLC6A7 (0.74) SLC6A7KDM4EALDH1A1L3MBTL1SLC6A3
SCHEMBL5823604 0.83 KDM4E (0.60) SLC6A7KDM4EALDH1A1L3MBTL1SLC6A3
SCHEMBL3580304 0.79 SLC6A7 (0.70) SLC6A7KDM4EALDH1A1L3MBTL1SLC6A3
SCHEMBL3578242 0.77 SLC6A7 (1.00) SLC6A7KDM4EALDH1A1L3MBTL1SLC6A3
SCHEMBL3817716 0.75 SLC6A7 (0.63) SLC6A7KDM4EALDH1A1L3MBTL1SLC6A3
SCHEMBL3575523 0.73 SLC6A7 (0.92) SLC6A7ALDH1A1L3MBTL1SLC6A3TSHR
SCHEMBL3820146 0.72 SLC6A7 (0.65) SLC6A7KDM4EALDH1A1L3MBTL1SLC6A3
SCHEMBL5935798 0.71 SLC6A7 (0.59) SLC6A7KDM4EALDH1A1L3MBTL1SLC6A3
SCHEMBL4695977 0.71 SLC6A7 (0.62) SLC6A7KDM4EALDH1A1L3MBTL1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed